| SpectraBase Compound ID | Cv8ujyUMXTO |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-6-9-14(7-2)20-16(18)11-8-10-15(17)19-13(5)12(3)4/h6-7,12-14H,1-2,8-11H2,3-5H3 |
| InChIKey | CQDDWSWNJBSPNN-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GXwXdeQv0yn |
|---|---|
| Name | Glutaric acid, hexa-1,5-dien-3-yl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-6-9-14(7-2)20-16(18)11-8-10-15(17)19-13(5)12(3)4/h6-7,12-14H,1-2,8-11H2,3-5H3 |
| InChIKey | CQDDWSWNJBSPNN-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC(C=C)CC=C)=O |